N4-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamide

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Systematic / IUPAC Name: 3-(2-Chloro-6-fluorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide

ID: Reference6947

Other Names: 3-(2-Chloro-6-fluorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methylisoxazole-4-carboxamide;
4-Isoxazolecarboxamide, 3-(2-chloro-6-fluorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methyl-

Formula: C16H12ClFN4O2S

Spectral Data

N4-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/20/2017 11:43:34 AM
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Identificators

InChI InChI=1S/C16H12ClFN4O2S/c1-7-11(13(22-24-7)12-9(17)3-2-4-10(12)18)14(23)19-16-21-20-15(25-16)8-5-6-8/h2-4,8H,5-6H2,1H3,(H,19,21,23)
InChI Key HUGLAWWZHQYLSC-UHFFFAOYSA-N
Canonical SMILES CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=NN=C(S3)C4CC4
CAS
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Other Names 3-(2-Chloro-6-fluorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methylisoxazole-4-carboxamide;
4-Isoxazolecarboxamide, 3-(2-chloro-6-fluorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methyl-

In Other Databases

PubChem 2798860
ChemSpider 2077611
ChEMBL CHEMBL1559207